5-[2-(1H-indol-3-yl)-2-oxoethyl]-8,10-dithia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one

C19H15N3O2S2 — CID 60518587

IUPAC5-[2-(1H-indol-3-yl)-2-oxoethyl]-8,10-dithia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one
SMILESO=C(Cc1nc2sc3c(c2c(=O)[nH]1)CCCS3)c1c[nH]c2ccccc12
InChIInChI=1S/C19H15N3O2S2/c23-14(12-9-20-13-6-2-1-4-10(12)13)8-15-21-17(24)16-11-5-3-7-25-19(11)26-18(16)22-15/h1-2,4,6,9,20H,3,5,7-8H2,(H,21,22,24)
InChIKeyRVVVJQVJFOOVFM-UHFFFAOYSA-N
MW381.48 g/mol
LogP3.93
Rot. Bonds3

About 5-[2-(1H-indol-3-yl)-2-oxoethyl]-8,10-dithia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one

5-[2-(1H-indol-3-yl)-2-oxoethyl]-8,10-dithia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one (PubChem CID 60518587) has the molecular formula C19H15N3O2S2 and a molecular weight of 381.48 g/mol. Its IUPAC name is 5-[2-(1H-indol-3-yl)-2-oxoethyl]-8,10-dithia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one.

Molecular Properties

Compound Name5-[2-(1H-indol-3-yl)-2-oxoethyl]-8,10-dithia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one
PubChem CID60518587
Molecular FormulaC19H15N3O2S2
Molecular Weight381.48 g/mol
Exact Mass381.06
IUPAC Name5-[2-(1H-indol-3-yl)-2-oxoethyl]-8,10-dithia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one
SMILESO=C(Cc1nc2sc3c(c2c(=O)[nH]1)CCCS3)c1c[nH]c2ccccc12
InChIInChI=1S/C19H15N3O2S2/c23-14(12-9-20-13-6-2-1-4-10(12)13)8-15-21-17(24)16-11-5-3-7-25-19(11)26-18(16)22-15/h1-2,4,6,9,20H,3,5,7-8H2,(H,21,22,24)
InChIKeyRVVVJQVJFOOVFM-UHFFFAOYSA-N
XLogP3.93
TPSA78.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[2-(1H-indol-3-yl)-2-oxoethyl]-8,10-dithia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[2-(1H-indol-3-yl)-2-oxoethyl]-8,10-dithia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one?
The IUPAC name of 5-[2-(1H-indol-3-yl)-2-oxoethyl]-8,10-dithia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one (CID 60518587) is 5-[2-(1H-indol-3-yl)-2-oxoethyl]-8,10-dithia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one.
What is the SMILES notation for 5-[2-(1H-indol-3-yl)-2-oxoethyl]-8,10-dithia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one?
The canonical SMILES for 5-[2-(1H-indol-3-yl)-2-oxoethyl]-8,10-dithia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one is O=C(Cc1nc2sc3c(c2c(=O)[nH]1)CCCS3)c1c[nH]c2ccccc12.
What is the InChIKey of 5-[2-(1H-indol-3-yl)-2-oxoethyl]-8,10-dithia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one?
The InChIKey is RVVVJQVJFOOVFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O2S2/c23-14(12-9-20-13-6-2-1-4-10(12)13)8-15-21-17(24)16-11-5-3-7-25-19(11)26-18(16)22-15/h1-2,4,6,9,20H,3,5,7-8H2,(H,21,22,24).
What are the key properties of 5-[2-(1H-indol-3-yl)-2-oxoethyl]-8,10-dithia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one?
5-[2-(1H-indol-3-yl)-2-oxoethyl]-8,10-dithia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one has a molecular weight of 381.48 g/mol, XLogP of 3.93, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(1H-indol-3-yl)-2-oxoethyl]-8,10-dithia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one is sourced from PubChem (CID 60518587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).